USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot -60:sc= -0.079 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 90:sc= -1.87 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 41 SER OG : rot 180:sc= -0.673 USER MOD Single : A 46 ASN : amide:sc= -0.979 X(o=-0.98,f=-0.57) USER MOD Single : A 47 THR OG1 : rot -96:sc= -3.78! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00181 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 102:sc= 1.16 USER MOD Single : A 78 ASN : amide:sc= -8.13! C(o=-8.1!,f=-11!) USER MOD Single : A 80 SER OG : rot -67:sc= -2.48 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.499 10.881 0.663 1.00 0.00 N ATOM 35 CA LEU A 3 65.345 9.595 -0.013 1.00 0.00 C ATOM 36 C LEU A 3 66.631 8.776 0.120 1.00 0.00 C ATOM 37 O LEU A 3 67.472 9.070 0.969 1.00 0.00 O ATOM 38 CB LEU A 3 65.001 9.813 -1.487 1.00 0.00 C ATOM 39 CG LEU A 3 66.101 10.462 -2.331 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.850 10.159 -3.811 1.00 0.00 C ATOM 41 CD2 LEU A 3 66.085 11.978 -2.111 1.00 0.00 C ATOM 0 HA LEU A 3 64.530 9.044 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.748 8.849 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 3 64.108 10.435 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 3 67.071 10.062 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.632 10.620 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.859 9.080 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.880 10.561 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.868 12.441 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 3 65.116 12.378 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 3 66.260 12.195 -1.057 1.00 0.00 H new ATOM 53 N LEU A 4 66.780 7.739 -0.707 1.00 0.00 N ATOM 54 CA LEU A 4 67.978 6.897 -0.628 1.00 0.00 C ATOM 55 C LEU A 4 68.762 6.934 -1.934 1.00 0.00 C ATOM 56 O LEU A 4 68.224 7.261 -2.992 1.00 0.00 O ATOM 57 CB LEU A 4 67.600 5.447 -0.311 1.00 0.00 C ATOM 58 CG LEU A 4 68.614 4.683 0.541 1.00 0.00 C ATOM 59 CD1 LEU A 4 68.297 4.890 2.022 1.00 0.00 C ATOM 60 CD2 LEU A 4 68.535 3.190 0.209 1.00 0.00 C ATOM 0 H LEU A 4 66.106 7.466 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 4 68.603 7.293 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.640 5.443 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.460 4.911 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 4 69.617 5.053 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.020 4.345 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.350 5.952 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 4 67.294 4.521 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 4 69.257 2.644 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 4 67.531 2.823 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.760 3.040 -0.847 1.00 0.00 H new ATOM 72 N THR A 5 70.045 6.594 -1.846 1.00 0.00 N ATOM 73 CA THR A 5 70.903 6.588 -3.027 1.00 0.00 C ATOM 74 C THR A 5 71.710 5.296 -3.103 1.00 0.00 C ATOM 75 O THR A 5 71.799 4.540 -2.135 1.00 0.00 O ATOM 76 CB THR A 5 71.866 7.775 -2.990 1.00 0.00 C ATOM 77 OG1 THR A 5 72.297 7.995 -1.653 1.00 0.00 O ATOM 78 CG2 THR A 5 71.152 9.021 -3.508 1.00 0.00 C ATOM 0 H THR A 5 70.509 6.322 -0.980 1.00 0.00 H new ATOM 0 HA THR A 5 70.262 6.663 -3.906 1.00 0.00 H new ATOM 0 HB THR A 5 72.731 7.563 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.521 8.194 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.836 9.869 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.822 8.851 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.288 9.233 -2.879 1.00 0.00 H new ATOM 86 N LEU A 6 72.301 5.059 -4.272 1.00 0.00 N ATOM 87 CA LEU A 6 73.108 3.858 -4.482 1.00 0.00 C ATOM 88 C LEU A 6 74.295 3.846 -3.526 1.00 0.00 C ATOM 89 O LEU A 6 74.698 2.799 -3.021 1.00 0.00 O ATOM 90 CB LEU A 6 73.635 3.802 -5.920 1.00 0.00 C ATOM 91 CG LEU A 6 72.626 4.184 -7.007 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.247 3.943 -8.384 1.00 0.00 C ATOM 93 CD2 LEU A 6 71.368 3.324 -6.862 1.00 0.00 C ATOM 0 H LEU A 6 72.238 5.676 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 6 72.472 2.992 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 6 74.496 4.465 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 6 73.992 2.791 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 6 72.362 5.236 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 6 72.530 4.214 -9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 6 74.144 4.553 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 6 73.510 2.890 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 6 70.650 3.596 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 6 71.633 2.272 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 6 70.924 3.491 -5.880 1.00 0.00 H new ATOM 105 N SER A 7 74.848 5.028 -3.288 1.00 0.00 N ATOM 106 CA SER A 7 75.994 5.162 -2.393 1.00 0.00 C ATOM 107 C SER A 7 75.602 4.801 -0.964 1.00 0.00 C ATOM 108 O SER A 7 76.416 4.290 -0.192 1.00 0.00 O ATOM 109 CB SER A 7 76.528 6.594 -2.417 1.00 0.00 C ATOM 110 OG SER A 7 77.500 6.716 -3.447 1.00 0.00 O ATOM 0 H SER A 7 74.525 5.904 -3.699 1.00 0.00 H new ATOM 0 HA SER A 7 76.771 4.480 -2.739 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.712 7.296 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.970 6.846 -1.453 1.00 0.00 H new ATOM 0 HG SER A 7 77.843 7.634 -3.466 1.00 0.00 H new ATOM 116 N ASP A 8 74.347 5.072 -0.618 1.00 0.00 N ATOM 117 CA ASP A 8 73.855 4.776 0.721 1.00 0.00 C ATOM 118 C ASP A 8 73.799 3.271 0.949 1.00 0.00 C ATOM 119 O ASP A 8 74.458 2.736 1.834 1.00 0.00 O ATOM 120 CB ASP A 8 72.451 5.354 0.909 1.00 0.00 C ATOM 121 CG ASP A 8 72.524 6.872 1.049 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.533 7.359 1.535 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.565 7.524 0.670 1.00 0.00 O ATOM 0 H ASP A 8 73.658 5.493 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 8 74.540 5.228 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.823 5.089 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 8 71.987 4.921 1.795 1.00 0.00 H new ATOM 128 N LEU A 9 72.998 2.592 0.138 1.00 0.00 N ATOM 129 CA LEU A 9 72.848 1.140 0.256 1.00 0.00 C ATOM 130 C LEU A 9 74.209 0.436 0.226 1.00 0.00 C ATOM 131 O LEU A 9 74.463 -0.494 0.992 1.00 0.00 O ATOM 132 CB LEU A 9 71.977 0.617 -0.891 1.00 0.00 C ATOM 133 CG LEU A 9 71.921 -0.911 -1.037 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.488 -1.355 -1.344 1.00 0.00 C ATOM 135 CD2 LEU A 9 72.847 -1.352 -2.175 1.00 0.00 C ATOM 0 H LEU A 9 72.444 3.016 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 9 72.372 0.925 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 9 70.962 0.988 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.345 1.040 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 9 72.246 -1.370 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.457 -2.440 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 9 69.830 -1.048 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 9 70.155 -0.894 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 9 72.806 -2.436 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 9 72.525 -0.887 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 9 73.869 -1.047 -1.951 1.00 0.00 H new ATOM 147 N LEU A 10 75.063 0.880 -0.685 1.00 0.00 N ATOM 148 CA LEU A 10 76.388 0.283 -0.840 1.00 0.00 C ATOM 149 C LEU A 10 77.239 0.422 0.426 1.00 0.00 C ATOM 150 O LEU A 10 77.644 -0.577 1.021 1.00 0.00 O ATOM 151 CB LEU A 10 77.114 0.919 -2.028 1.00 0.00 C ATOM 152 CG LEU A 10 76.880 0.215 -3.371 1.00 0.00 C ATOM 153 CD1 LEU A 10 76.826 1.249 -4.501 1.00 0.00 C ATOM 154 CD2 LEU A 10 78.021 -0.771 -3.636 1.00 0.00 C ATOM 0 H LEU A 10 74.866 1.648 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 10 76.244 -0.782 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.796 1.958 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.184 0.930 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 10 75.933 -0.323 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.660 0.741 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.011 1.948 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.769 1.794 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 10 77.855 -1.271 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 10 78.968 -0.232 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 10 78.054 -1.513 -2.838 1.00 0.00 H new ATOM 166 N THR A 11 77.522 1.662 0.831 1.00 0.00 N ATOM 167 CA THR A 11 78.345 1.904 2.026 1.00 0.00 C ATOM 168 C THR A 11 77.801 1.133 3.232 1.00 0.00 C ATOM 169 O THR A 11 78.547 0.499 3.976 1.00 0.00 O ATOM 170 CB THR A 11 78.423 3.416 2.331 1.00 0.00 C ATOM 171 OG1 THR A 11 79.564 3.674 3.137 1.00 0.00 O ATOM 172 CG2 THR A 11 77.167 3.926 3.055 1.00 0.00 C ATOM 0 H THR A 11 77.200 2.507 0.359 1.00 0.00 H new ATOM 0 HA THR A 11 79.353 1.541 1.825 1.00 0.00 H new ATOM 0 HB THR A 11 78.496 3.943 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 11 79.617 4.633 3.331 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.267 4.994 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.291 3.751 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.051 3.395 4.000 1.00 0.00 H new ATOM 180 N LEU A 12 76.485 1.188 3.401 1.00 0.00 N ATOM 181 CA LEU A 12 75.836 0.476 4.508 1.00 0.00 C ATOM 182 C LEU A 12 76.151 -1.005 4.412 1.00 0.00 C ATOM 183 O LEU A 12 76.612 -1.631 5.366 1.00 0.00 O ATOM 184 CB LEU A 12 74.322 0.656 4.457 1.00 0.00 C ATOM 185 CG LEU A 12 73.854 2.101 4.539 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.479 2.235 3.880 1.00 0.00 C ATOM 187 CD2 LEU A 12 73.761 2.517 6.006 1.00 0.00 C ATOM 0 H LEU A 12 75.849 1.709 2.797 1.00 0.00 H new ATOM 0 HA LEU A 12 76.213 0.887 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.948 0.219 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.875 0.096 5.278 1.00 0.00 H new ATOM 0 HG LEU A 12 74.564 2.744 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.146 3.271 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.546 1.936 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 12 71.764 1.594 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.426 3.552 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.050 1.873 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.741 2.423 6.474 1.00 0.00 H new ATOM 199 N LEU A 13 75.916 -1.546 3.224 1.00 0.00 N ATOM 200 CA LEU A 13 76.198 -2.957 2.966 1.00 0.00 C ATOM 201 C LEU A 13 77.686 -3.223 3.184 1.00 0.00 C ATOM 202 O LEU A 13 78.081 -4.278 3.679 1.00 0.00 O ATOM 203 CB LEU A 13 75.806 -3.334 1.531 1.00 0.00 C ATOM 204 CG LEU A 13 74.469 -4.072 1.401 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.179 -4.354 -0.078 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.536 -5.397 2.175 1.00 0.00 C ATOM 0 H LEU A 13 75.534 -1.036 2.427 1.00 0.00 H new ATOM 0 HA LEU A 13 75.611 -3.566 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.763 -2.425 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.592 -3.959 1.107 1.00 0.00 H new ATOM 0 HG LEU A 13 73.672 -3.453 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.228 -4.879 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.127 -3.412 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 13 74.975 -4.972 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 13 73.585 -5.921 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.334 -6.017 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 74.737 -5.194 3.227 1.00 0.00 H new ATOM 218 N ARG A 14 78.501 -2.234 2.824 1.00 0.00 N ATOM 219 CA ARG A 14 79.943 -2.342 2.997 1.00 0.00 C ATOM 220 C ARG A 14 80.273 -2.390 4.490 1.00 0.00 C ATOM 221 O ARG A 14 80.972 -3.289 4.959 1.00 0.00 O ATOM 222 CB ARG A 14 80.646 -1.139 2.342 1.00 0.00 C ATOM 223 CG ARG A 14 82.159 -1.167 2.630 1.00 0.00 C ATOM 224 CD ARG A 14 82.587 0.120 3.348 1.00 0.00 C ATOM 225 NE ARG A 14 83.454 -0.190 4.487 1.00 0.00 N ATOM 226 CZ ARG A 14 84.064 0.767 5.200 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.911 2.036 4.906 1.00 0.00 N ATOM 228 NH2 ARG A 14 84.824 0.430 6.206 1.00 0.00 N ATOM 0 H ARG A 14 78.187 -1.355 2.413 1.00 0.00 H new ATOM 0 HA ARG A 14 80.295 -3.256 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.476 -1.154 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.216 -0.211 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.403 -2.033 3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.712 -1.272 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 14 83.112 0.774 2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 14 81.706 0.662 3.692 1.00 0.00 H new ATOM 0 HE ARG A 14 83.598 -1.166 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.319 2.310 4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 14 84.384 2.749 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 14 84.949 -0.554 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 14 85.293 1.151 6.755 1.00 0.00 H new ATOM 242 N GLU A 15 79.756 -1.409 5.229 1.00 0.00 N ATOM 243 CA GLU A 15 79.990 -1.335 6.673 1.00 0.00 C ATOM 244 C GLU A 15 79.583 -2.644 7.348 1.00 0.00 C ATOM 245 O GLU A 15 80.291 -3.168 8.209 1.00 0.00 O ATOM 246 CB GLU A 15 79.182 -0.178 7.278 1.00 0.00 C ATOM 247 CG GLU A 15 79.453 -0.070 8.787 1.00 0.00 C ATOM 248 CD GLU A 15 80.103 1.274 9.107 1.00 0.00 C ATOM 249 OE1 GLU A 15 81.055 1.624 8.429 1.00 0.00 O ATOM 250 OE2 GLU A 15 79.640 1.931 10.024 1.00 0.00 O ATOM 0 H GLU A 15 79.176 -0.658 4.856 1.00 0.00 H new ATOM 0 HA GLU A 15 81.053 -1.163 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.449 0.757 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.118 -0.338 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 15 78.520 -0.173 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.104 -0.883 9.107 1.00 0.00 H new ATOM 257 N CYS A 16 78.434 -3.161 6.938 1.00 0.00 N ATOM 258 CA CYS A 16 77.928 -4.411 7.494 1.00 0.00 C ATOM 259 C CYS A 16 78.819 -5.573 7.076 1.00 0.00 C ATOM 260 O CYS A 16 79.186 -6.422 7.888 1.00 0.00 O ATOM 261 CB CYS A 16 76.506 -4.672 7.004 1.00 0.00 C ATOM 262 SG CYS A 16 75.648 -5.732 8.194 1.00 0.00 S ATOM 0 H CYS A 16 77.837 -2.739 6.227 1.00 0.00 H new ATOM 0 HA CYS A 16 77.927 -4.325 8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 16 75.971 -3.730 6.887 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.529 -5.150 6.024 1.00 0.00 H new ATOM 0 HG CYS A 16 75.054 -4.993 9.084 1.00 0.00 H new ATOM 268 N ALA A 17 79.163 -5.596 5.793 1.00 0.00 N ATOM 269 CA ALA A 17 80.017 -6.654 5.257 1.00 0.00 C ATOM 270 C ALA A 17 81.378 -6.637 5.944 1.00 0.00 C ATOM 271 O ALA A 17 81.935 -7.683 6.279 1.00 0.00 O ATOM 272 CB ALA A 17 80.216 -6.471 3.752 1.00 0.00 C ATOM 0 H ALA A 17 78.867 -4.901 5.108 1.00 0.00 H new ATOM 0 HA ALA A 17 79.527 -7.610 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 17 80.854 -7.268 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.249 -6.508 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.686 -5.506 3.562 1.00 0.00 H new ATOM 417 N VAL A 29 77.124 -3.030 -10.689 1.00 0.00 N ATOM 418 CA VAL A 29 76.306 -4.180 -10.307 1.00 0.00 C ATOM 419 C VAL A 29 75.005 -3.714 -9.658 1.00 0.00 C ATOM 420 O VAL A 29 74.454 -4.385 -8.785 1.00 0.00 O ATOM 421 CB VAL A 29 77.063 -5.077 -9.327 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.282 -5.681 -10.026 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.525 -4.247 -8.128 1.00 0.00 C ATOM 0 HA VAL A 29 76.079 -4.747 -11.210 1.00 0.00 H new ATOM 0 HB VAL A 29 76.406 -5.876 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 29 78.822 -6.321 -9.328 1.00 0.00 H new ATOM 0 HG12 VAL A 29 77.955 -6.272 -10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 29 78.939 -4.881 -10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.065 -4.886 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.182 -3.448 -8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.658 -3.815 -7.629 1.00 0.00 H new ATOM 433 N GLU A 30 74.521 -2.557 -10.100 1.00 0.00 N ATOM 434 CA GLU A 30 73.284 -1.999 -9.568 1.00 0.00 C ATOM 435 C GLU A 30 72.077 -2.841 -9.985 1.00 0.00 C ATOM 436 O GLU A 30 71.038 -2.830 -9.326 1.00 0.00 O ATOM 437 CB GLU A 30 73.104 -0.567 -10.074 1.00 0.00 C ATOM 438 CG GLU A 30 73.024 -0.555 -11.604 1.00 0.00 C ATOM 439 CD GLU A 30 73.665 0.722 -12.139 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.276 1.788 -11.692 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.535 0.614 -12.988 1.00 0.00 O ATOM 0 H GLU A 30 74.965 -1.990 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 30 73.349 -2.002 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.197 -0.135 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 30 73.937 0.052 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.533 -1.428 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.984 -0.614 -11.925 1.00 0.00 H new ATOM 448 N ASP A 31 72.228 -3.566 -11.089 1.00 0.00 N ATOM 449 CA ASP A 31 71.150 -4.408 -11.592 1.00 0.00 C ATOM 450 C ASP A 31 71.545 -5.885 -11.526 1.00 0.00 C ATOM 451 O ASP A 31 71.022 -6.714 -12.272 1.00 0.00 O ATOM 452 CB ASP A 31 70.817 -4.036 -13.037 1.00 0.00 C ATOM 453 CG ASP A 31 69.928 -2.798 -13.050 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.732 -2.949 -12.868 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.458 -1.714 -13.241 1.00 0.00 O ATOM 0 H ASP A 31 73.081 -3.587 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 31 70.273 -4.246 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.734 -3.845 -13.595 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.311 -4.866 -13.530 1.00 0.00 H new ATOM 460 N VAL A 32 72.460 -6.208 -10.611 1.00 0.00 N ATOM 461 CA VAL A 32 72.902 -7.587 -10.437 1.00 0.00 C ATOM 462 C VAL A 32 72.349 -8.135 -9.124 1.00 0.00 C ATOM 463 O VAL A 32 72.333 -7.440 -8.108 1.00 0.00 O ATOM 464 CB VAL A 32 74.430 -7.666 -10.410 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.867 -9.134 -10.409 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.000 -6.965 -11.645 1.00 0.00 C ATOM 0 H VAL A 32 72.905 -5.537 -9.985 1.00 0.00 H new ATOM 0 HA VAL A 32 72.534 -8.178 -11.275 1.00 0.00 H new ATOM 0 HB VAL A 32 74.802 -7.176 -9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 32 75.955 -9.190 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.463 -9.633 -9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.494 -9.625 -11.308 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.088 -7.021 -11.626 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.627 -7.454 -12.545 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.691 -5.920 -11.645 1.00 0.00 H new ATOM 476 N ALA A 33 71.883 -9.381 -9.154 1.00 0.00 N ATOM 477 CA ALA A 33 71.315 -9.997 -7.955 1.00 0.00 C ATOM 478 C ALA A 33 72.324 -10.009 -6.809 1.00 0.00 C ATOM 479 O ALA A 33 73.534 -10.080 -7.024 1.00 0.00 O ATOM 480 CB ALA A 33 70.876 -11.434 -8.239 1.00 0.00 C ATOM 0 H ALA A 33 71.886 -9.978 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 33 70.450 -9.400 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.457 -11.872 -7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 33 70.121 -11.435 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.737 -12.020 -8.561 1.00 0.00 H new ATOM 486 N PHE A 34 71.803 -9.940 -5.584 1.00 0.00 N ATOM 487 CA PHE A 34 72.657 -9.944 -4.393 1.00 0.00 C ATOM 488 C PHE A 34 73.544 -11.186 -4.364 1.00 0.00 C ATOM 489 O PHE A 34 74.662 -11.155 -3.848 1.00 0.00 O ATOM 490 CB PHE A 34 71.803 -9.924 -3.123 1.00 0.00 C ATOM 491 CG PHE A 34 71.149 -8.572 -2.973 1.00 0.00 C ATOM 492 CD1 PHE A 34 71.927 -7.443 -2.694 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.763 -8.450 -3.110 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.318 -6.191 -2.551 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.153 -7.198 -2.969 1.00 0.00 C ATOM 496 CZ PHE A 34 69.931 -6.068 -2.689 1.00 0.00 C ATOM 0 H PHE A 34 70.803 -9.881 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 34 73.282 -9.052 -4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.043 -10.703 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.423 -10.138 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 34 72.998 -7.538 -2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.163 -9.322 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 34 71.919 -5.320 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.082 -7.104 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.461 -5.102 -2.580 1.00 0.00 H new ATOM 506 N ASP A 35 73.034 -12.281 -4.923 1.00 0.00 N ATOM 507 CA ASP A 35 73.790 -13.532 -4.956 1.00 0.00 C ATOM 508 C ASP A 35 75.091 -13.345 -5.729 1.00 0.00 C ATOM 509 O ASP A 35 76.136 -13.879 -5.358 1.00 0.00 O ATOM 510 CB ASP A 35 72.968 -14.644 -5.617 1.00 0.00 C ATOM 511 CG ASP A 35 73.696 -15.976 -5.470 1.00 0.00 C ATOM 512 OD1 ASP A 35 73.909 -16.391 -4.343 1.00 0.00 O ATOM 513 OD2 ASP A 35 74.030 -16.562 -6.487 1.00 0.00 O ATOM 0 H ASP A 35 72.111 -12.329 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 35 74.015 -13.816 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.982 -14.704 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.813 -14.417 -6.672 1.00 0.00 H new ATOM 518 N ALA A 36 75.013 -12.576 -6.811 1.00 0.00 N ATOM 519 CA ALA A 36 76.186 -12.316 -7.635 1.00 0.00 C ATOM 520 C ALA A 36 77.161 -11.405 -6.896 1.00 0.00 C ATOM 521 O ALA A 36 78.377 -11.582 -6.971 1.00 0.00 O ATOM 522 CB ALA A 36 75.778 -11.651 -8.950 1.00 0.00 C ATOM 0 H ALA A 36 74.157 -12.126 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 36 76.669 -13.270 -7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.666 -11.464 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 36 75.101 -12.308 -9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 36 75.276 -10.706 -8.740 1.00 0.00 H new ATOM 528 N LEU A 37 76.612 -10.430 -6.177 1.00 0.00 N ATOM 529 CA LEU A 37 77.442 -9.495 -5.422 1.00 0.00 C ATOM 530 C LEU A 37 78.226 -10.237 -4.346 1.00 0.00 C ATOM 531 O LEU A 37 79.383 -9.923 -4.070 1.00 0.00 O ATOM 532 CB LEU A 37 76.577 -8.422 -4.757 1.00 0.00 C ATOM 533 CG LEU A 37 75.491 -7.812 -5.649 1.00 0.00 C ATOM 534 CD1 LEU A 37 74.797 -6.671 -4.902 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.127 -7.267 -6.929 1.00 0.00 C ATOM 0 H LEU A 37 75.608 -10.267 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 37 78.133 -9.020 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.101 -8.856 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.227 -7.621 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 37 74.760 -8.579 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.024 -6.237 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.342 -7.057 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 37 75.529 -5.905 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.354 -6.833 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 37 76.859 -6.501 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.622 -8.078 -7.463 1.00 0.00 H new ATOM 547 N GLY A 38 77.579 -11.232 -3.746 1.00 0.00 N ATOM 548 CA GLY A 38 78.220 -12.025 -2.700 1.00 0.00 C ATOM 549 C GLY A 38 77.609 -11.735 -1.332 1.00 0.00 C ATOM 550 O GLY A 38 78.258 -11.913 -0.301 1.00 0.00 O ATOM 0 H GLY A 38 76.621 -11.507 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 38 78.116 -13.086 -2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.288 -11.806 -2.678 1.00 0.00 H new ATOM 554 N TYR A 39 76.354 -11.288 -1.326 1.00 0.00 N ATOM 555 CA TYR A 39 75.676 -10.981 -0.070 1.00 0.00 C ATOM 556 C TYR A 39 74.929 -12.207 0.448 1.00 0.00 C ATOM 557 O TYR A 39 74.374 -12.987 -0.326 1.00 0.00 O ATOM 558 CB TYR A 39 74.680 -9.839 -0.264 1.00 0.00 C ATOM 559 CG TYR A 39 75.433 -8.542 -0.436 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.166 -8.012 0.630 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.394 -7.871 -1.662 1.00 0.00 C ATOM 562 CE1 TYR A 39 76.864 -6.809 0.470 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.090 -6.668 -1.824 1.00 0.00 C ATOM 564 CZ TYR A 39 76.825 -6.136 -0.757 1.00 0.00 C ATOM 565 OH TYR A 39 77.512 -4.950 -0.916 1.00 0.00 O ATOM 0 H TYR A 39 75.794 -11.132 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 39 76.434 -10.683 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.057 -10.029 -1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.012 -9.774 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.194 -8.531 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.827 -8.281 -2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 39 77.432 -6.400 1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.060 -6.150 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 39 77.380 -4.615 -1.828 1.00 0.00 H new ATOM 575 N ASP A 40 74.921 -12.363 1.768 1.00 0.00 N ATOM 576 CA ASP A 40 74.239 -13.495 2.389 1.00 0.00 C ATOM 577 C ASP A 40 72.769 -13.167 2.625 1.00 0.00 C ATOM 578 O ASP A 40 71.884 -13.671 1.935 1.00 0.00 O ATOM 579 CB ASP A 40 74.899 -13.850 3.725 1.00 0.00 C ATOM 580 CG ASP A 40 76.024 -14.852 3.487 1.00 0.00 C ATOM 581 OD1 ASP A 40 77.004 -14.476 2.865 1.00 0.00 O ATOM 582 OD2 ASP A 40 75.889 -15.981 3.930 1.00 0.00 O ATOM 0 H ASP A 40 75.374 -11.727 2.424 1.00 0.00 H new ATOM 0 HA ASP A 40 74.313 -14.347 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.293 -12.951 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.160 -14.272 4.407 1.00 0.00 H new ATOM 587 N SER A 41 72.530 -12.316 3.613 1.00 0.00 N ATOM 588 CA SER A 41 71.175 -11.908 3.966 1.00 0.00 C ATOM 589 C SER A 41 71.238 -10.979 5.161 1.00 0.00 C ATOM 590 O SER A 41 70.638 -9.903 5.179 1.00 0.00 O ATOM 591 CB SER A 41 70.328 -13.120 4.349 1.00 0.00 C ATOM 592 OG SER A 41 70.800 -13.654 5.579 1.00 0.00 O ATOM 0 H SER A 41 73.259 -11.893 4.187 1.00 0.00 H new ATOM 0 HA SER A 41 70.726 -11.412 3.106 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.281 -12.831 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.381 -13.877 3.567 1.00 0.00 H new ATOM 0 HG SER A 41 70.257 -14.431 5.828 1.00 0.00 H new ATOM 598 N LEU A 42 71.990 -11.422 6.160 1.00 0.00 N ATOM 599 CA LEU A 42 72.164 -10.645 7.389 1.00 0.00 C ATOM 600 C LEU A 42 72.709 -9.254 7.072 1.00 0.00 C ATOM 601 O LEU A 42 72.418 -8.283 7.773 1.00 0.00 O ATOM 602 CB LEU A 42 73.131 -11.352 8.341 1.00 0.00 C ATOM 603 CG LEU A 42 74.399 -11.914 7.683 1.00 0.00 C ATOM 604 CD1 LEU A 42 75.600 -11.708 8.610 1.00 0.00 C ATOM 605 CD2 LEU A 42 74.217 -13.412 7.412 1.00 0.00 C ATOM 0 H LEU A 42 72.489 -12.311 6.148 1.00 0.00 H new ATOM 0 HA LEU A 42 71.188 -10.553 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.426 -10.650 9.121 1.00 0.00 H new ATOM 0 HB3 LEU A 42 72.602 -12.169 8.831 1.00 0.00 H new ATOM 0 HG LEU A 42 74.575 -11.391 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.497 -12.109 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.735 -10.643 8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 42 75.425 -12.225 9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 42 75.118 -13.809 6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 42 74.036 -13.933 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.367 -13.561 6.746 1.00 0.00 H new ATOM 617 N ALA A 43 73.497 -9.168 6.004 1.00 0.00 N ATOM 618 CA ALA A 43 74.070 -7.890 5.596 1.00 0.00 C ATOM 619 C ALA A 43 72.974 -6.964 5.089 1.00 0.00 C ATOM 620 O ALA A 43 72.886 -5.807 5.495 1.00 0.00 O ATOM 621 CB ALA A 43 75.109 -8.091 4.491 1.00 0.00 C ATOM 0 H ALA A 43 73.751 -9.959 5.412 1.00 0.00 H new ATOM 0 HA ALA A 43 74.555 -7.444 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 43 75.524 -7.125 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 43 75.909 -8.735 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 43 74.635 -8.556 3.627 1.00 0.00 H new ATOM 627 N LEU A 44 72.135 -7.496 4.205 1.00 0.00 N ATOM 628 CA LEU A 44 71.029 -6.720 3.645 1.00 0.00 C ATOM 629 C LEU A 44 69.971 -6.469 4.716 1.00 0.00 C ATOM 630 O LEU A 44 69.293 -5.442 4.715 1.00 0.00 O ATOM 631 CB LEU A 44 70.390 -7.471 2.478 1.00 0.00 C ATOM 632 CG LEU A 44 71.379 -8.040 1.460 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.617 -8.814 0.385 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.154 -6.893 0.809 1.00 0.00 C ATOM 0 H LEU A 44 72.197 -8.454 3.862 1.00 0.00 H new ATOM 0 HA LEU A 44 71.423 -5.768 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.790 -8.289 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.707 -6.797 1.961 1.00 0.00 H new ATOM 0 HG LEU A 44 72.075 -8.710 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.322 -9.219 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.063 -9.631 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.921 -8.145 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.860 -7.297 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.457 -6.223 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.698 -6.340 1.575 1.00 0.00 H new ATOM 646 N LEU A 45 69.840 -7.424 5.632 1.00 0.00 N ATOM 647 CA LEU A 45 68.868 -7.302 6.713 1.00 0.00 C ATOM 648 C LEU A 45 69.250 -6.150 7.639 1.00 0.00 C ATOM 649 O LEU A 45 68.447 -5.257 7.910 1.00 0.00 O ATOM 650 CB LEU A 45 68.806 -8.607 7.518 1.00 0.00 C ATOM 651 CG LEU A 45 67.965 -8.560 8.800 1.00 0.00 C ATOM 652 CD1 LEU A 45 66.568 -8.024 8.481 1.00 0.00 C ATOM 653 CD2 LEU A 45 67.847 -9.970 9.382 1.00 0.00 C ATOM 0 H LEU A 45 70.389 -8.283 5.648 1.00 0.00 H new ATOM 0 HA LEU A 45 67.889 -7.102 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 45 68.409 -9.391 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 45 69.823 -8.897 7.783 1.00 0.00 H new ATOM 0 HG LEU A 45 68.447 -7.903 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.973 -7.992 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.650 -7.020 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.084 -8.678 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.250 -9.939 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.366 -10.625 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.841 -10.353 9.613 1.00 0.00 H new ATOM 665 N ASN A 46 70.487 -6.187 8.120 1.00 0.00 N ATOM 666 CA ASN A 46 70.981 -5.148 9.020 1.00 0.00 C ATOM 667 C ASN A 46 70.969 -3.788 8.332 1.00 0.00 C ATOM 668 O ASN A 46 70.609 -2.774 8.932 1.00 0.00 O ATOM 669 CB ASN A 46 72.410 -5.463 9.463 1.00 0.00 C ATOM 670 CG ASN A 46 72.397 -6.635 10.436 1.00 0.00 C ATOM 671 OD1 ASN A 46 71.686 -6.611 11.440 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.150 -7.673 10.194 1.00 0.00 N ATOM 0 H ASN A 46 71.164 -6.919 7.905 1.00 0.00 H new ATOM 0 HA ASN A 46 70.323 -5.120 9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.025 -5.704 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 46 72.856 -4.589 9.937 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.149 -8.465 10.837 1.00 0.00 H new ATOM 0 HD22 ASN A 46 73.739 -7.693 9.362 1.00 0.00 H new ATOM 679 N THR A 47 71.375 -3.775 7.064 1.00 0.00 N ATOM 680 CA THR A 47 71.418 -2.533 6.286 1.00 0.00 C ATOM 681 C THR A 47 70.060 -1.835 6.291 1.00 0.00 C ATOM 682 O THR A 47 69.932 -0.700 6.745 1.00 0.00 O ATOM 683 CB THR A 47 71.816 -2.836 4.842 1.00 0.00 C ATOM 684 OG1 THR A 47 71.386 -4.135 4.518 1.00 0.00 O ATOM 685 CG2 THR A 47 73.335 -2.743 4.694 1.00 0.00 C ATOM 0 H THR A 47 71.678 -4.604 6.553 1.00 0.00 H new ATOM 0 HA THR A 47 72.155 -1.875 6.746 1.00 0.00 H new ATOM 0 HB THR A 47 71.352 -2.114 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.127 -4.765 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.614 -2.960 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.665 -1.738 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 47 73.810 -3.465 5.358 1.00 0.00 H new ATOM 693 N VAL A 48 69.049 -2.535 5.781 1.00 0.00 N ATOM 694 CA VAL A 48 67.691 -1.984 5.724 1.00 0.00 C ATOM 695 C VAL A 48 67.228 -1.542 7.112 1.00 0.00 C ATOM 696 O VAL A 48 66.480 -0.574 7.252 1.00 0.00 O ATOM 697 CB VAL A 48 66.713 -3.030 5.173 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.325 -2.403 4.998 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.214 -3.538 3.813 1.00 0.00 C ATOM 0 H VAL A 48 69.140 -3.478 5.403 1.00 0.00 H new ATOM 0 HA VAL A 48 67.707 -1.118 5.062 1.00 0.00 H new ATOM 0 HB VAL A 48 66.649 -3.862 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 48 64.635 -3.150 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 48 64.963 -2.045 5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 48 65.388 -1.567 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 48 66.518 -4.281 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 48 67.282 -2.703 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.198 -3.991 3.934 1.00 0.00 H new ATOM 709 N GLY A 49 67.691 -2.252 8.133 1.00 0.00 N ATOM 710 CA GLY A 49 67.325 -1.913 9.504 1.00 0.00 C ATOM 711 C GLY A 49 67.867 -0.536 9.868 1.00 0.00 C ATOM 712 O GLY A 49 67.206 0.253 10.548 1.00 0.00 O ATOM 0 H GLY A 49 68.312 -3.056 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.240 -1.925 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.722 -2.661 10.190 1.00 0.00 H new ATOM 716 N ARG A 50 69.079 -0.254 9.398 1.00 0.00 N ATOM 717 CA ARG A 50 69.707 1.031 9.672 1.00 0.00 C ATOM 718 C ARG A 50 68.954 2.144 8.960 1.00 0.00 C ATOM 719 O ARG A 50 68.866 3.265 9.455 1.00 0.00 O ATOM 720 CB ARG A 50 71.163 1.030 9.201 1.00 0.00 C ATOM 721 CG ARG A 50 71.931 2.145 9.914 1.00 0.00 C ATOM 722 CD ARG A 50 73.371 2.182 9.401 1.00 0.00 C ATOM 723 NE ARG A 50 74.255 2.811 10.386 1.00 0.00 N ATOM 724 CZ ARG A 50 74.550 2.225 11.555 1.00 0.00 C ATOM 725 NH1 ARG A 50 74.057 1.051 11.872 1.00 0.00 N ATOM 726 NH2 ARG A 50 75.343 2.834 12.394 1.00 0.00 N ATOM 0 H ARG A 50 69.639 -0.891 8.832 1.00 0.00 H new ATOM 0 HA ARG A 50 69.679 1.200 10.748 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.624 0.065 9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.207 1.176 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.446 3.105 9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.922 1.976 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.714 1.169 9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 50 73.414 2.733 8.462 1.00 0.00 H new ATOM 0 HE ARG A 50 74.659 3.724 10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 50 73.436 0.566 11.224 1.00 0.00 H new ATOM 0 HH12 ARG A 50 74.294 0.623 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 50 75.732 3.747 12.157 1.00 0.00 H new ATOM 0 HH22 ARG A 50 75.574 2.397 13.286 1.00 0.00 H new ATOM 740 N ILE A 51 68.404 1.821 7.792 1.00 0.00 N ATOM 741 CA ILE A 51 67.653 2.808 7.024 1.00 0.00 C ATOM 742 C ILE A 51 66.357 3.148 7.738 1.00 0.00 C ATOM 743 O ILE A 51 66.062 4.311 7.996 1.00 0.00 O ATOM 744 CB ILE A 51 67.320 2.284 5.622 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.572 1.692 4.955 1.00 0.00 C ATOM 746 CG2 ILE A 51 66.784 3.435 4.766 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.701 2.730 4.912 1.00 0.00 C ATOM 0 H ILE A 51 68.463 0.898 7.362 1.00 0.00 H new ATOM 0 HA ILE A 51 68.276 3.698 6.932 1.00 0.00 H new ATOM 0 HB ILE A 51 66.567 1.501 5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 51 68.902 0.810 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.332 1.365 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.546 3.066 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 51 65.884 3.842 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.540 4.217 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.579 2.293 4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.374 3.599 4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.953 3.036 5.927 1.00 0.00 H new ATOM 759 N GLU A 52 65.580 2.119 8.055 1.00 0.00 N ATOM 760 CA GLU A 52 64.308 2.329 8.742 1.00 0.00 C ATOM 761 C GLU A 52 64.514 3.062 10.070 1.00 0.00 C ATOM 762 O GLU A 52 63.595 3.694 10.586 1.00 0.00 O ATOM 763 CB GLU A 52 63.611 0.994 9.010 1.00 0.00 C ATOM 764 CG GLU A 52 64.538 0.081 9.816 1.00 0.00 C ATOM 765 CD GLU A 52 63.814 -1.221 10.139 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.140 -1.266 11.155 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.945 -2.156 9.366 1.00 0.00 O ATOM 0 H GLU A 52 65.802 1.144 7.852 1.00 0.00 H new ATOM 0 HA GLU A 52 63.683 2.940 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.683 1.161 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.344 0.516 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.445 -0.126 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.844 0.577 10.737 1.00 0.00 H new ATOM 774 N ARG A 53 65.725 2.971 10.622 1.00 0.00 N ATOM 775 CA ARG A 53 66.013 3.636 11.890 1.00 0.00 C ATOM 776 C ARG A 53 66.611 5.023 11.658 1.00 0.00 C ATOM 777 O ARG A 53 66.209 6.000 12.289 1.00 0.00 O ATOM 778 CB ARG A 53 66.992 2.805 12.721 1.00 0.00 C ATOM 779 CG ARG A 53 67.011 3.325 14.160 1.00 0.00 C ATOM 780 CD ARG A 53 68.405 3.128 14.756 1.00 0.00 C ATOM 781 NE ARG A 53 68.332 3.008 16.214 1.00 0.00 N ATOM 782 CZ ARG A 53 69.425 2.831 16.970 1.00 0.00 C ATOM 783 NH1 ARG A 53 70.620 2.756 16.433 1.00 0.00 N ATOM 784 NH2 ARG A 53 69.299 2.731 18.265 1.00 0.00 N ATOM 0 H ARG A 53 66.507 2.454 10.220 1.00 0.00 H new ATOM 0 HA ARG A 53 65.071 3.739 12.428 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.698 1.756 12.706 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.991 2.862 12.289 1.00 0.00 H new ATOM 0 HG2 ARG A 53 66.742 4.381 14.180 1.00 0.00 H new ATOM 0 HG3 ARG A 53 66.270 2.796 14.759 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.863 2.233 14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.043 3.969 14.487 1.00 0.00 H new ATOM 0 HE ARG A 53 67.420 3.061 16.669 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.730 2.833 15.422 1.00 0.00 H new ATOM 0 HH12 ARG A 53 71.438 2.621 17.027 1.00 0.00 H new ATOM 0 HH21 ARG A 53 68.375 2.788 18.693 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.124 2.596 18.849 1.00 0.00 H new ATOM 798 N ASP A 54 67.580 5.094 10.752 1.00 0.00 N ATOM 799 CA ASP A 54 68.237 6.361 10.447 1.00 0.00 C ATOM 800 C ASP A 54 67.301 7.291 9.683 1.00 0.00 C ATOM 801 O ASP A 54 67.321 8.507 9.874 1.00 0.00 O ATOM 802 CB ASP A 54 69.487 6.122 9.602 1.00 0.00 C ATOM 803 CG ASP A 54 70.632 5.665 10.499 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.477 4.643 11.149 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.646 6.344 10.526 1.00 0.00 O ATOM 0 H ASP A 54 67.926 4.296 10.219 1.00 0.00 H new ATOM 0 HA ASP A 54 68.512 6.825 11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.285 5.368 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.765 7.037 9.079 1.00 0.00 H new ATOM 810 N TYR A 55 66.485 6.707 8.813 1.00 0.00 N ATOM 811 CA TYR A 55 65.546 7.493 8.020 1.00 0.00 C ATOM 812 C TYR A 55 64.183 7.547 8.706 1.00 0.00 C ATOM 813 O TYR A 55 63.423 8.497 8.524 1.00 0.00 O ATOM 814 CB TYR A 55 65.379 6.888 6.622 1.00 0.00 C ATOM 815 CG TYR A 55 66.680 6.985 5.855 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.801 6.260 6.277 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.763 7.799 4.717 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.003 6.348 5.563 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.966 7.887 4.003 1.00 0.00 C ATOM 820 CZ TYR A 55 69.085 7.161 4.427 1.00 0.00 C ATOM 821 OH TYR A 55 70.269 7.247 3.724 1.00 0.00 O ATOM 0 H TYR A 55 66.454 5.702 8.639 1.00 0.00 H new ATOM 0 HA TYR A 55 65.948 8.502 7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.072 5.845 6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.590 7.412 6.082 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.739 5.632 7.154 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.899 8.359 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.867 5.788 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 55 68.029 8.515 3.126 1.00 0.00 H new ATOM 0 HH TYR A 55 70.154 7.853 2.962 1.00 0.00 H new ATOM 831 N GLY A 56 63.879 6.517 9.496 1.00 0.00 N ATOM 832 CA GLY A 56 62.599 6.469 10.199 1.00 0.00 C ATOM 833 C GLY A 56 61.459 6.250 9.212 1.00 0.00 C ATOM 834 O GLY A 56 60.389 6.847 9.334 1.00 0.00 O ATOM 0 H GLY A 56 64.490 5.718 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.611 5.665 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.442 7.399 10.745 1.00 0.00 H new ATOM 838 N VAL A 57 61.703 5.393 8.224 1.00 0.00 N ATOM 839 CA VAL A 57 60.695 5.108 7.212 1.00 0.00 C ATOM 840 C VAL A 57 60.492 3.596 7.067 1.00 0.00 C ATOM 841 O VAL A 57 61.341 2.800 7.468 1.00 0.00 O ATOM 842 CB VAL A 57 61.126 5.718 5.869 1.00 0.00 C ATOM 843 CG1 VAL A 57 62.433 5.075 5.393 1.00 0.00 C ATOM 844 CG2 VAL A 57 60.035 5.491 4.824 1.00 0.00 C ATOM 0 H VAL A 57 62.582 4.889 8.104 1.00 0.00 H new ATOM 0 HA VAL A 57 59.748 5.552 7.520 1.00 0.00 H new ATOM 0 HB VAL A 57 61.283 6.788 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.729 5.515 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.215 5.250 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.286 4.002 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.345 5.925 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 57 59.870 4.421 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 57 59.110 5.964 5.154 1.00 0.00 H new ATOM 854 N GLN A 58 59.354 3.213 6.488 1.00 0.00 N ATOM 855 CA GLN A 58 59.046 1.798 6.293 1.00 0.00 C ATOM 856 C GLN A 58 57.848 1.643 5.361 1.00 0.00 C ATOM 857 O GLN A 58 56.859 2.367 5.475 1.00 0.00 O ATOM 858 CB GLN A 58 58.727 1.128 7.630 1.00 0.00 C ATOM 859 CG GLN A 58 58.731 -0.392 7.455 1.00 0.00 C ATOM 860 CD GLN A 58 58.130 -1.048 8.693 1.00 0.00 C ATOM 861 OE1 GLN A 58 57.327 -1.975 8.584 1.00 0.00 O ATOM 862 NE2 GLN A 58 58.474 -0.620 9.877 1.00 0.00 N ATOM 0 H GLN A 58 58.638 3.855 6.149 1.00 0.00 H new ATOM 0 HA GLN A 58 59.920 1.320 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 58 59.463 1.420 8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 58 57.754 1.460 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 58 58.158 -0.668 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 58 59.749 -0.748 7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 58 59.139 0.148 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 58 58.078 -1.053 10.711 1.00 0.00 H new ATOM 871 N LEU A 59 57.949 0.693 4.433 1.00 0.00 N ATOM 872 CA LEU A 59 56.863 0.458 3.482 1.00 0.00 C ATOM 873 C LEU A 59 56.394 -0.996 3.525 1.00 0.00 C ATOM 874 O LEU A 59 55.203 -1.278 3.399 1.00 0.00 O ATOM 875 CB LEU A 59 57.309 0.803 2.058 1.00 0.00 C ATOM 876 CG LEU A 59 58.398 -0.101 1.468 1.00 0.00 C ATOM 877 CD1 LEU A 59 58.470 0.120 -0.045 1.00 0.00 C ATOM 878 CD2 LEU A 59 59.756 0.231 2.109 1.00 0.00 C ATOM 0 H LEU A 59 58.758 0.082 4.319 1.00 0.00 H new ATOM 0 HA LEU A 59 56.033 1.104 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.438 0.766 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.671 1.831 2.049 1.00 0.00 H new ATOM 0 HG LEU A 59 58.157 -1.144 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.243 -0.520 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 59 57.508 -0.125 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.711 1.163 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 59 60.526 -0.415 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 59 60.007 1.273 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 59 59.699 0.070 3.186 1.00 0.00 H new ATOM 890 N GLY A 60 57.337 -1.920 3.704 1.00 0.00 N ATOM 891 CA GLY A 60 56.994 -3.337 3.759 1.00 0.00 C ATOM 892 C GLY A 60 58.201 -4.175 4.160 1.00 0.00 C ATOM 893 O GLY A 60 59.273 -4.075 3.563 1.00 0.00 O ATOM 0 H GLY A 60 58.330 -1.716 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 60 56.186 -3.492 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 60 56.627 -3.664 2.786 1.00 0.00 H new ATOM 897 N ASP A 61 58.013 -5.004 5.182 1.00 0.00 N ATOM 898 CA ASP A 61 59.088 -5.865 5.667 1.00 0.00 C ATOM 899 C ASP A 61 59.524 -6.854 4.587 1.00 0.00 C ATOM 900 O ASP A 61 60.665 -7.317 4.577 1.00 0.00 O ATOM 901 CB ASP A 61 58.631 -6.646 6.900 1.00 0.00 C ATOM 902 CG ASP A 61 58.260 -5.671 8.012 1.00 0.00 C ATOM 903 OD1 ASP A 61 57.161 -5.140 7.965 1.00 0.00 O ATOM 904 OD2 ASP A 61 59.078 -5.468 8.894 1.00 0.00 O ATOM 0 H ASP A 61 57.132 -5.098 5.688 1.00 0.00 H new ATOM 0 HA ASP A 61 59.931 -5.226 5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 61 57.774 -7.272 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 61 59.425 -7.312 7.236 1.00 0.00 H new ATOM 909 N ASP A 62 58.606 -7.179 3.677 1.00 0.00 N ATOM 910 CA ASP A 62 58.917 -8.120 2.606 1.00 0.00 C ATOM 911 C ASP A 62 59.722 -7.458 1.484 1.00 0.00 C ATOM 912 O ASP A 62 60.103 -8.119 0.516 1.00 0.00 O ATOM 913 CB ASP A 62 57.634 -8.704 2.016 1.00 0.00 C ATOM 914 CG ASP A 62 56.712 -7.572 1.577 1.00 0.00 C ATOM 915 OD1 ASP A 62 57.007 -6.951 0.569 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.724 -7.342 2.255 1.00 0.00 O ATOM 0 H ASP A 62 57.655 -6.810 3.660 1.00 0.00 H new ATOM 0 HA ASP A 62 59.520 -8.915 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.871 -9.344 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 62 57.133 -9.329 2.756 1.00 0.00 H new ATOM 921 N ALA A 63 60.001 -6.157 1.620 1.00 0.00 N ATOM 922 CA ALA A 63 60.784 -5.449 0.611 1.00 0.00 C ATOM 923 C ALA A 63 62.139 -6.126 0.434 1.00 0.00 C ATOM 924 O ALA A 63 62.701 -6.159 -0.661 1.00 0.00 O ATOM 925 CB ALA A 63 61.010 -4.000 1.037 1.00 0.00 C ATOM 0 H ALA A 63 59.700 -5.583 2.408 1.00 0.00 H new ATOM 0 HA ALA A 63 60.233 -5.471 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.595 -3.484 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 63 60.048 -3.501 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 63 61.549 -3.979 1.984 1.00 0.00 H new ATOM 931 N VAL A 64 62.646 -6.674 1.534 1.00 0.00 N ATOM 932 CA VAL A 64 63.930 -7.366 1.507 1.00 0.00 C ATOM 933 C VAL A 64 63.811 -8.680 0.735 1.00 0.00 C ATOM 934 O VAL A 64 64.783 -9.165 0.157 1.00 0.00 O ATOM 935 CB VAL A 64 64.416 -7.659 2.931 1.00 0.00 C ATOM 936 CG1 VAL A 64 64.634 -6.339 3.673 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.370 -8.500 3.676 1.00 0.00 C ATOM 0 H VAL A 64 62.192 -6.653 2.447 1.00 0.00 H new ATOM 0 HA VAL A 64 64.651 -6.718 1.009 1.00 0.00 H new ATOM 0 HB VAL A 64 65.353 -8.213 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.980 -6.544 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.382 -5.745 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 64 63.696 -5.786 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.721 -8.705 4.687 1.00 0.00 H new ATOM 0 HG22 VAL A 64 62.429 -7.952 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 64 63.216 -9.441 3.148 1.00 0.00 H new ATOM 947 N GLU A 65 62.605 -9.251 0.730 1.00 0.00 N ATOM 948 CA GLU A 65 62.373 -10.505 0.024 1.00 0.00 C ATOM 949 C GLU A 65 62.483 -10.292 -1.481 1.00 0.00 C ATOM 950 O GLU A 65 63.351 -10.861 -2.142 1.00 0.00 O ATOM 951 CB GLU A 65 60.982 -11.055 0.350 1.00 0.00 C ATOM 952 CG GLU A 65 60.904 -12.525 -0.066 1.00 0.00 C ATOM 953 CD GLU A 65 59.445 -12.925 -0.252 1.00 0.00 C ATOM 954 OE1 GLU A 65 58.794 -12.341 -1.103 1.00 0.00 O ATOM 955 OE2 GLU A 65 58.998 -13.809 0.461 1.00 0.00 O ATOM 0 H GLU A 65 61.785 -8.868 1.202 1.00 0.00 H new ATOM 0 HA GLU A 65 63.129 -11.220 0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.781 -10.957 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.219 -10.477 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 65 61.456 -12.681 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 65 61.370 -13.154 0.692 1.00 0.00 H new ATOM 962 N LYS A 66 61.593 -9.461 -2.013 1.00 0.00 N ATOM 963 CA LYS A 66 61.597 -9.171 -3.444 1.00 0.00 C ATOM 964 C LYS A 66 62.910 -8.504 -3.852 1.00 0.00 C ATOM 965 O LYS A 66 63.365 -8.641 -4.987 1.00 0.00 O ATOM 966 CB LYS A 66 60.435 -8.243 -3.805 1.00 0.00 C ATOM 967 CG LYS A 66 59.112 -8.909 -3.424 1.00 0.00 C ATOM 968 CD LYS A 66 57.983 -8.328 -4.277 1.00 0.00 C ATOM 969 CE LYS A 66 56.661 -9.001 -3.902 1.00 0.00 C ATOM 970 NZ LYS A 66 55.532 -8.270 -4.544 1.00 0.00 N ATOM 0 H LYS A 66 60.867 -8.980 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 66 61.488 -10.115 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.539 -7.292 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.449 -8.023 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.178 -9.986 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.903 -8.748 -2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.912 -7.252 -4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.195 -8.484 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 66 56.666 -10.042 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 66 56.537 -9.005 -2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 54.633 -8.727 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 55.525 -7.284 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.649 -8.288 -5.577 1.00 0.00 H new ATOM 984 N ALA A 67 63.512 -7.778 -2.910 1.00 0.00 N ATOM 985 CA ALA A 67 64.773 -7.086 -3.172 1.00 0.00 C ATOM 986 C ALA A 67 65.856 -8.066 -3.622 1.00 0.00 C ATOM 987 O ALA A 67 66.500 -8.720 -2.803 1.00 0.00 O ATOM 988 CB ALA A 67 65.253 -6.370 -1.912 1.00 0.00 C ATOM 0 H ALA A 67 63.149 -7.654 -1.965 1.00 0.00 H new ATOM 0 HA ALA A 67 64.593 -6.363 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.193 -5.858 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.505 -5.642 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.405 -7.098 -1.115 1.00 0.00 H new ATOM 994 N THR A 68 66.059 -8.144 -4.935 1.00 0.00 N ATOM 995 CA THR A 68 67.083 -9.030 -5.486 1.00 0.00 C ATOM 996 C THR A 68 68.327 -8.221 -5.862 1.00 0.00 C ATOM 997 O THR A 68 69.451 -8.715 -5.801 1.00 0.00 O ATOM 998 CB THR A 68 66.559 -9.779 -6.722 1.00 0.00 C ATOM 999 OG1 THR A 68 67.558 -10.676 -7.183 1.00 0.00 O ATOM 1000 CG2 THR A 68 66.208 -8.789 -7.839 1.00 0.00 C ATOM 0 H THR A 68 65.536 -7.612 -5.630 1.00 0.00 H new ATOM 0 HA THR A 68 67.342 -9.764 -4.723 1.00 0.00 H new ATOM 0 HB THR A 68 65.660 -10.331 -6.447 1.00 0.00 H new ATOM 0 HG1 THR A 68 67.228 -11.157 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.839 -9.336 -8.707 1.00 0.00 H new ATOM 0 HG22 THR A 68 65.438 -8.102 -7.488 1.00 0.00 H new ATOM 0 HG23 THR A 68 67.098 -8.224 -8.118 1.00 0.00 H new ATOM 1008 N THR A 69 68.102 -6.964 -6.239 1.00 0.00 N ATOM 1009 CA THR A 69 69.195 -6.069 -6.608 1.00 0.00 C ATOM 1010 C THR A 69 69.242 -4.906 -5.615 1.00 0.00 C ATOM 1011 O THR A 69 68.312 -4.728 -4.827 1.00 0.00 O ATOM 1012 CB THR A 69 68.985 -5.505 -8.029 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.653 -5.765 -8.456 1.00 0.00 O ATOM 1014 CG2 THR A 69 69.965 -6.159 -9.005 1.00 0.00 C ATOM 0 H THR A 69 67.175 -6.544 -6.297 1.00 0.00 H new ATOM 0 HA THR A 69 70.129 -6.630 -6.587 1.00 0.00 H new ATOM 0 HB THR A 69 69.161 -4.429 -8.010 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.522 -5.404 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.808 -5.754 -10.005 1.00 0.00 H new ATOM 0 HG22 THR A 69 70.987 -5.954 -8.687 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.799 -7.236 -9.020 1.00 0.00 H new ATOM 1022 N PRO A 70 70.297 -4.081 -5.643 1.00 0.00 N ATOM 1023 CA PRO A 70 70.389 -2.934 -4.726 1.00 0.00 C ATOM 1024 C PRO A 70 69.363 -1.870 -5.082 1.00 0.00 C ATOM 1025 O PRO A 70 68.791 -1.216 -4.212 1.00 0.00 O ATOM 1026 CB PRO A 70 71.816 -2.444 -4.940 1.00 0.00 C ATOM 1027 CG PRO A 70 72.241 -2.940 -6.311 1.00 0.00 C ATOM 1028 CD PRO A 70 71.436 -4.213 -6.580 1.00 0.00 C ATOM 0 HA PRO A 70 70.182 -3.186 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 70 71.864 -1.356 -4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.479 -2.829 -4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.044 -2.187 -7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.311 -3.145 -6.335 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.103 -4.270 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.021 -5.111 -6.383 1.00 0.00 H new ATOM 1036 N ARG A 71 69.115 -1.731 -6.381 1.00 0.00 N ATOM 1037 CA ARG A 71 68.129 -0.768 -6.859 1.00 0.00 C ATOM 1038 C ARG A 71 66.746 -1.105 -6.300 1.00 0.00 C ATOM 1039 O ARG A 71 65.893 -0.229 -6.155 1.00 0.00 O ATOM 1040 CB ARG A 71 68.063 -0.783 -8.386 1.00 0.00 C ATOM 1041 CG ARG A 71 69.396 -0.300 -8.957 1.00 0.00 C ATOM 1042 CD ARG A 71 69.339 1.213 -9.169 1.00 0.00 C ATOM 1043 NE ARG A 71 70.238 1.611 -10.253 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.228 2.848 -10.771 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.404 3.765 -10.325 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.052 3.143 -11.738 1.00 0.00 N ATOM 0 H ARG A 71 69.578 -2.267 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 71 68.431 0.222 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 71 67.846 -1.790 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.253 -0.141 -8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.209 -0.553 -8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.603 -0.803 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.319 1.515 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.619 1.726 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 71 70.894 0.925 -10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 71 68.755 3.543 -9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.412 4.700 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.696 2.436 -12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.053 4.081 -12.139 1.00 0.00 H new ATOM 1060 N ALA A 72 66.532 -2.385 -5.980 1.00 0.00 N ATOM 1061 CA ALA A 72 65.250 -2.815 -5.432 1.00 0.00 C ATOM 1062 C ALA A 72 65.034 -2.173 -4.069 1.00 0.00 C ATOM 1063 O ALA A 72 64.034 -1.495 -3.834 1.00 0.00 O ATOM 1064 CB ALA A 72 65.210 -4.336 -5.285 1.00 0.00 C ATOM 0 H ALA A 72 67.221 -3.129 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 72 64.460 -2.506 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.246 -4.637 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.349 -4.800 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.006 -4.658 -4.614 1.00 0.00 H new ATOM 1070 N LEU A 73 65.997 -2.389 -3.177 1.00 0.00 N ATOM 1071 CA LEU A 73 65.925 -1.818 -1.832 1.00 0.00 C ATOM 1072 C LEU A 73 65.823 -0.300 -1.911 1.00 0.00 C ATOM 1073 O LEU A 73 64.977 0.316 -1.265 1.00 0.00 O ATOM 1074 CB LEU A 73 67.170 -2.184 -1.022 1.00 0.00 C ATOM 1075 CG LEU A 73 67.477 -3.679 -0.952 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.878 -3.888 -0.377 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.451 -4.365 -0.048 1.00 0.00 C ATOM 0 H LEU A 73 66.830 -2.950 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 73 65.041 -2.225 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.030 -1.671 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.049 -1.805 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 73 67.428 -4.107 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.096 -4.955 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.611 -3.397 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.928 -3.461 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.668 -5.432 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.503 -3.935 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.451 -4.217 -0.455 1.00 0.00 H new ATOM 1089 N ILE A 74 66.690 0.296 -2.732 1.00 0.00 N ATOM 1090 CA ILE A 74 66.680 1.748 -2.907 1.00 0.00 C ATOM 1091 C ILE A 74 65.320 2.194 -3.446 1.00 0.00 C ATOM 1092 O ILE A 74 64.778 3.218 -3.033 1.00 0.00 O ATOM 1093 CB ILE A 74 67.783 2.191 -3.883 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.149 1.748 -3.355 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.778 3.718 -4.024 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.219 2.023 -4.415 1.00 0.00 C ATOM 0 H ILE A 74 67.397 -0.196 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 74 66.865 2.210 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 74 67.594 1.733 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.387 2.283 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.129 0.686 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.562 4.022 -4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.811 4.045 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.957 4.174 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.193 1.708 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.983 1.468 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.244 3.090 -4.638 1.00 0.00 H new ATOM 1108 N GLU A 75 64.777 1.407 -4.369 1.00 0.00 N ATOM 1109 CA GLU A 75 63.481 1.729 -4.952 1.00 0.00 C ATOM 1110 C GLU A 75 62.387 1.598 -3.903 1.00 0.00 C ATOM 1111 O GLU A 75 61.550 2.487 -3.742 1.00 0.00 O ATOM 1112 CB GLU A 75 63.169 0.798 -6.126 1.00 0.00 C ATOM 1113 CG GLU A 75 63.675 1.427 -7.425 1.00 0.00 C ATOM 1114 CD GLU A 75 62.821 2.641 -7.770 1.00 0.00 C ATOM 1115 OE1 GLU A 75 61.607 2.521 -7.716 1.00 0.00 O ATOM 1116 OE2 GLU A 75 63.390 3.673 -8.083 1.00 0.00 O ATOM 0 H GLU A 75 65.207 0.554 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 75 63.519 2.756 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.642 -0.172 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.095 0.622 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 75 64.718 1.723 -7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 75 63.633 0.698 -8.234 1.00 0.00 H new ATOM 1123 N MET A 76 62.414 0.486 -3.178 1.00 0.00 N ATOM 1124 CA MET A 76 61.430 0.251 -2.128 1.00 0.00 C ATOM 1125 C MET A 76 61.576 1.313 -1.046 1.00 0.00 C ATOM 1126 O MET A 76 60.592 1.797 -0.487 1.00 0.00 O ATOM 1127 CB MET A 76 61.632 -1.132 -1.509 1.00 0.00 C ATOM 1128 CG MET A 76 60.971 -2.191 -2.392 1.00 0.00 C ATOM 1129 SD MET A 76 59.172 -2.044 -2.269 1.00 0.00 S ATOM 1130 CE MET A 76 58.762 -3.054 -3.714 1.00 0.00 C ATOM 0 H MET A 76 63.099 -0.260 -3.296 1.00 0.00 H new ATOM 0 HA MET A 76 60.433 0.302 -2.565 1.00 0.00 H new ATOM 0 HB2 MET A 76 62.696 -1.343 -1.405 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.203 -1.159 -0.508 1.00 0.00 H new ATOM 0 HG2 MET A 76 61.287 -2.065 -3.428 1.00 0.00 H new ATOM 0 HG3 MET A 76 61.287 -3.187 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 76 57.679 -3.100 -3.830 1.00 0.00 H new ATOM 0 HE2 MET A 76 59.204 -2.610 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 76 59.156 -4.061 -3.577 1.00 0.00 H new ATOM 1140 N THR A 77 62.825 1.678 -0.772 1.00 0.00 N ATOM 1141 CA THR A 77 63.109 2.694 0.231 1.00 0.00 C ATOM 1142 C THR A 77 62.649 4.060 -0.270 1.00 0.00 C ATOM 1143 O THR A 77 61.857 4.740 0.379 1.00 0.00 O ATOM 1144 CB THR A 77 64.613 2.741 0.530 1.00 0.00 C ATOM 1145 OG1 THR A 77 65.050 1.452 0.939 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.897 3.749 1.646 1.00 0.00 C ATOM 0 H THR A 77 63.650 1.288 -1.228 1.00 0.00 H new ATOM 0 HA THR A 77 62.571 2.441 1.145 1.00 0.00 H new ATOM 0 HB THR A 77 65.147 3.046 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 77 65.512 1.012 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.967 3.774 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.563 4.739 1.335 1.00 0.00 H new ATOM 0 HG23 THR A 77 64.363 3.453 2.549 1.00 0.00 H new ATOM 1154 N ASN A 78 63.143 4.451 -1.443 1.00 0.00 N ATOM 1155 CA ASN A 78 62.772 5.741 -2.030 1.00 0.00 C ATOM 1156 C ASN A 78 61.257 5.861 -2.140 1.00 0.00 C ATOM 1157 O ASN A 78 60.692 6.941 -1.987 1.00 0.00 O ATOM 1158 CB ASN A 78 63.389 5.894 -3.417 1.00 0.00 C ATOM 1159 CG ASN A 78 64.823 6.391 -3.278 1.00 0.00 C ATOM 1160 OD1 ASN A 78 65.133 7.527 -3.624 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.725 5.604 -2.776 1.00 0.00 N ATOM 0 H ASN A 78 63.795 3.901 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 78 63.150 6.529 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.372 4.939 -3.942 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.805 6.596 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.686 5.931 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.473 4.659 -2.487 1.00 0.00 H new ATOM 1168 N ALA A 79 60.616 4.726 -2.388 1.00 0.00 N ATOM 1169 CA ALA A 79 59.165 4.684 -2.500 1.00 0.00 C ATOM 1170 C ALA A 79 58.536 4.958 -1.141 1.00 0.00 C ATOM 1171 O ALA A 79 57.468 5.563 -1.038 1.00 0.00 O ATOM 1172 CB ALA A 79 58.711 3.308 -2.984 1.00 0.00 C ATOM 0 H ALA A 79 61.077 3.825 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 79 58.851 5.443 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.624 3.291 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 79 59.149 3.103 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 79 59.035 2.547 -2.274 1.00 0.00 H new ATOM 1178 N SER A 80 59.219 4.503 -0.096 1.00 0.00 N ATOM 1179 CA SER A 80 58.738 4.698 1.260 1.00 0.00 C ATOM 1180 C SER A 80 58.994 6.134 1.697 1.00 0.00 C ATOM 1181 O SER A 80 58.119 6.793 2.261 1.00 0.00 O ATOM 1182 CB SER A 80 59.436 3.730 2.216 1.00 0.00 C ATOM 1183 OG SER A 80 60.742 4.204 2.512 1.00 0.00 O ATOM 0 H SER A 80 60.103 3.999 -0.165 1.00 0.00 H new ATOM 0 HA SER A 80 57.666 4.501 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 80 58.858 3.632 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 80 59.492 2.738 1.767 1.00 0.00 H new ATOM 0 HG SER A 80 61.295 4.166 1.704 1.00 0.00 H new ATOM 1189 N LEU A 81 60.201 6.617 1.418 1.00 0.00 N ATOM 1190 CA LEU A 81 60.559 7.983 1.774 1.00 0.00 C ATOM 1191 C LEU A 81 59.662 8.976 1.041 1.00 0.00 C ATOM 1192 O LEU A 81 59.074 9.867 1.653 1.00 0.00 O ATOM 1193 CB LEU A 81 62.022 8.276 1.410 1.00 0.00 C ATOM 1194 CG LEU A 81 63.090 7.727 2.374 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.664 7.940 3.826 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.289 6.235 2.125 1.00 0.00 C ATOM 0 H LEU A 81 60.939 6.089 0.952 1.00 0.00 H new ATOM 0 HA LEU A 81 60.426 8.091 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.215 7.869 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.147 9.357 1.341 1.00 0.00 H new ATOM 0 HG LEU A 81 64.023 8.261 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.431 7.546 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.533 9.006 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.723 7.421 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 81 64.045 5.850 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.348 5.710 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.616 6.078 1.097 1.00 0.00 H new ATOM 1208 N THR A 82 59.563 8.814 -0.279 1.00 0.00 N ATOM 1209 CA THR A 82 58.729 9.713 -1.078 1.00 0.00 C ATOM 1210 C THR A 82 57.271 9.642 -0.621 1.00 0.00 C ATOM 1211 O THR A 82 56.542 10.633 -0.665 1.00 0.00 O ATOM 1212 CB THR A 82 58.814 9.360 -2.571 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.033 10.282 -3.317 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.294 7.939 -2.811 1.00 0.00 C ATOM 0 H THR A 82 60.039 8.084 -0.809 1.00 0.00 H new ATOM 0 HA THR A 82 59.103 10.727 -0.933 1.00 0.00 H new ATOM 0 HB THR A 82 59.855 9.413 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.087 10.060 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.360 7.702 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 82 58.897 7.230 -2.243 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.255 7.872 -2.488 1.00 0.00 H new ATOM 1222 N GLY A 83 56.858 8.456 -0.183 1.00 0.00 N ATOM 1223 CA GLY A 83 55.487 8.261 0.281 1.00 0.00 C ATOM 1224 C GLY A 83 55.202 9.124 1.506 1.00 0.00 C ATOM 1225 O GLY A 83 54.148 9.751 1.610 1.00 0.00 O ATOM 0 H GLY A 83 57.445 7.623 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.789 8.513 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.327 7.211 0.525 1.00 0.00 H new